CHEBI:140720 - (S)-3-hydroxyhexacosanoyl-CoA(4-)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (S)-3-hydroxyhexacosanoyl-CoA(4-)
ChEBI ID CHEBI:140720
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C47H82N7O18P3S
Net Charge -4
Average Mass 1158.179
Monoisotopic Mass 1157.46719
InChI InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35-,36+,40+,41+,42-,46+/m0/s1
InChIKey GBMJOTOUUWGTIA-FUMULLQGSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)N2C=NC3=C(N)N=CN=C23
ChEBI Ontology
Outgoing (S)-3-hydroxyhexacosanoyl-CoA(4-) (CHEBI:140720) is a organic molecular entity (CHEBI:50860)